Crystallography Open Database

Information card for entry 1520753

1520752 << 1520753 >> 1520754

Preview

Coordinates	1520753.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H13 Cl N2 O2 S
Calculated formula	C13 H13 Cl N2 O2 S
Title of publication	Effective Recognition of Different Types of Amino Groups: From Aminobenzenesulfonamides to Amino-(N-alkyl)benzenesulfonamides via Iridium-Catalyzed N-Alkylation with Alcohols.
Authors of publication	Lu, Lei; Ma, Juan; Qu, Panpan; Li, Feng
Journal of publication	Organic letters
Year of publication	2015
Journal volume	17
Journal issue	10
Pages of publication	2350 - 2353
a	15.767 ± 0.003 Å
b	5.759 ± 0.0012 Å
c	15.721 ± 0.003 Å
α	90°
β	112.32 ± 0.03°
γ	90°
Cell volume	1320.5 ± 0.5 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0905
Residual factor for significantly intense reflections	0.054
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.168
Goodness-of-fit parameter for all reflections included in the refinement	1.002
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	1520753.cif
140041	2015-07-05	cif/ Adding structures of 1520753 via cif-deposit CGI script.	1520753.cif